[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-cyclohexyl]phosphonic acid; propan-2-ol

Systemtic Name: [1-[2-(4-chlorophenyl)ethylamino]-3-methyl-cyclohexyl]phosphonic acid; propan-2-ol Openeye Name: [1-[2-(4-chlorophenyl)ethylamino]-3-methyl-cyclohexyl]phosphonic acid; propan-2-ol CAS Name: [1-[2-(4-chlorophenyl)ethylamino]-3-methylcyclohexyl]phosphonic acid; 2-propanol IUPAC Name: [1-[2-(4-chlorophenyl)ethylamino]-3-methylcyclohexyl]phosphonic acid; propan-2-ol Traditional Name: [1-[2-(4-chlorophenyl)ethylamino]-3-methyl-cyclohexyl]phosphonic acid; propan-2-ol Formula: C18H31ClNO4P MolecularWeight: 391.869801

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(NCCC2=CC=C(C=C2)Cl)P(=O)(O)O.CC(C)O

Isomeric SMILES

CC1CCCC(C1)(NCCC2=CC=C(C=C2)Cl)P(=O)(O)O.CC(C)O

InChI

InChI=1S/C15H23ClNO3P.C3H8O/c1-12-3-2-9-15(11-12,21(18,19)20)17-10-8-13-4-6-14(16)7-5-13;1-3(2)4/h4-7,12,17H,2-3,8-11H2,1H3,(H2,18,19,20);3-4H,1-2H3